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@proceedings{1421017, author = {Suchánková, Pavla and Svobodová Vařeková, Radka}, booktitle = {ENBIK}, keywords = {Glycoinformatics; format conversion; PubChem}, language = {eng}, isbn = {978-80-7592-017-1}, title = {Connection of glycoinformatics databases with Pubchem}, year = {2018} }
TY - CONF ID - 1421017 AU - Suchánková, Pavla - Svobodová Vařeková, Radka PY - 2018 TI - Connection of glycoinformatics databases with Pubchem SN - 9788075920171 KW - Glycoinformatics KW - format conversion KW - PubChem N2 - Nowadays, information about structure of organic molecules and proteins is stored in general databases and described via common data formats. Unfortunately, glycoinformatics databases are isolated and use specialised data formats. For better work with interesting data stored in these databases, it is necessary to link together information from these specialized databases with general-purpose database. Among such specialised databases belong for example GlyConnect and UnicarbKB – databases of glycan structures, which utilise GlycoCT data format [1]. We developed a workflow for translation of GlycoCT format to common molecular formats SMILES, InChI and InChIKey. Based on these standard formats, we established a linkage between GlyConnect, UnicarbKB and PubChem [2] databases. We will present the workflow and information describing a matching between these databases. ER -
SUCHÁNKOVÁ, Pavla a Radka SVOBODOVÁ VAŘEKOVÁ. Connection of glycoinformatics databases with Pubchem. In \textit{ENBIK}. 2018. ISBN~978-80-7592-017-1.
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